5-methyl-4-(4-methylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidine-6-carbonitrile

Systemtic Name: 5-methyl-4-(4-methylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidine-6-carbonitrile Openeye Name: 5-methyl-4-(4-methylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidine-6-carbonitrile CAS Name: 5-methyl-4-(4-methyl-1-piperazinyl)-2-(3,4,5-trimethoxyphenyl)-6-thieno[2,3-d]pyrimidinecarbonitrile IUPAC Name: 5-methyl-4-(4-methylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidine-6-carbonitrile Traditional Name: 5-methyl-4-(4-methylpiperazino)-2-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidine-6-carbonitrile Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C)C4=CC(=C(C(=C4)OC)OC)OC)C#N

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C)C4=CC(=C(C(=C4)OC)OC)OC)C#N

InChI

InChI=1S/C22H25N5O3S/c1-13-17(12-23)31-22-18(13)21(27-8-6-26(2)7-9-27)24-20(25-22)14-10-15(28-3)19(30-5)16(11-14)29-4/h10-11H,6-9H2,1-5H3